SCHEMBL3971008

SCHEMBL3971008

CCN(CC)c1cc(C)c(N)c(SS(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 2/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP2C9 P11712 1/20 0.50
S100B P04271 1/20 0.42
MAPT P10636 4/20 0.36
GFER P55789 4/20 0.33
MAPK1 P28482 3/20 0.33
CYP3A4 P08684 3/20 0.33
PSMD14 O00487 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 2/20 0.32
GRK2 P25098 1/20 0.32
DNMT1 P26358 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3474313 0.83 MEN1 (0.33) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL150570 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL11509575 0.78 S100B (0.45) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL9817097 0.76 S100B (0.61) ALDH1A1L3MBTL1HPGDKMT2ACYP2C19
SCHEMBL3971013 0.76 S100B (0.42) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL3477837 0.71 MEN1 (0.37) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL11259514 0.70 KDM4E (0.56) ALDH1A1L3MBTL1HPGDMEN1KMT2A
Sulfuric Acid SCHEMBL7955346 0.70 S100B (0.80) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL195345 0.69 MEN1 (0.45) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL5512903 0.68 MEN1 (0.44) ALDH1A1L3MBTL1HPGDMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009047534-A2 FUSED PHENOTHIAZINIUM COMPOUNDS, PREPARATION METHOD THEREOF AND USE AS PHOTOANTIMICROBIALS PHARMALUCIA LTD (GB) 2009-04-16 WO disclosed